Materials Data on Li2S by Materials Project

doi:10.17188/1187672

Title: Materials Data on Li2S by Materials Project

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Abstract

Li2S is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.45 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.49–2.87 Å. S2- is bonded in a 9-coordinate geometry to nine Li1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-1125

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Li2S; Li-S

OSTI Identifier:: 1187672

DOI:: https://doi.org/10.17188/1187672

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                    The Materials Project. Materials Data on Li2S by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187672.

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                    The Materials Project. Materials Data on Li2S by Materials Project.  United States.  doi:https://doi.org/10.17188/1187672

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                    The Materials Project. 2020.  
"Materials Data on Li2S by Materials Project".  United States.  doi:https://doi.org/10.17188/1187672.  https://www.osti.gov/servlets/purl/1187672. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187672,

  title        = {Materials Data on Li2S by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2S is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.45 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.49–2.87 Å. S2- is bonded in a 9-coordinate geometry to nine Li1+ atoms.},

  doi          = {10.17188/1187672},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187672

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